[(3,5-dimethoxyphenyl)-diphenylmethyl] acetate

C23H22O4 — CID 46190086

IUPAC[(3,5-dimethoxyphenyl)-diphenylmethyl] acetate
SMILESCOc1cc(OC)cc(C(OC(C)=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H22O4/c1-17(24)27-23(18-10-6-4-7-11-18,19-12-8-5-9-13-19)20-14-21(25-2)16-22(15-20)26-3/h4-16H,1-3H3
InChIKeyTVVIGJNQLYEDHP-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.56
Rot. Bonds6

About [(3,5-dimethoxyphenyl)-diphenylmethyl] acetate

[(3,5-dimethoxyphenyl)-diphenylmethyl] acetate (PubChem CID 46190086) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is [(3,5-dimethoxyphenyl)-diphenylmethyl] acetate.

Molecular Properties

Compound Name[(3,5-dimethoxyphenyl)-diphenylmethyl] acetate
PubChem CID46190086
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name[(3,5-dimethoxyphenyl)-diphenylmethyl] acetate
SMILESCOc1cc(OC)cc(C(OC(C)=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H22O4/c1-17(24)27-23(18-10-6-4-7-11-18,19-12-8-5-9-13-19)20-14-21(25-2)16-22(15-20)26-3/h4-16H,1-3H3
InChIKeyTVVIGJNQLYEDHP-UHFFFAOYSA-N
XLogP4.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[[3-(dimethylamino)phenyl]-diphenylmethyl] acetate
CID 45257419
(1-acetyloxy-1-phenylethyl) acetate
CID 11586599
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
CID 135011938
acetic acid;trityl 2-methylprop-2-enoate
CID 174941434
O-trityl ethanethioate
CID 3057355
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
CID 157298221
anisole;ethane;propan-2-one
CID 164986667
cyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate
CID 157240030
ditrityl but-2-enedioate
CID 54115376
methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688

Frequently Asked Questions

What is the IUPAC name of [(3,5-dimethoxyphenyl)-diphenylmethyl] acetate?
The IUPAC name of [(3,5-dimethoxyphenyl)-diphenylmethyl] acetate (CID 46190086) is [(3,5-dimethoxyphenyl)-diphenylmethyl] acetate.
What is the SMILES notation for [(3,5-dimethoxyphenyl)-diphenylmethyl] acetate?
The canonical SMILES for [(3,5-dimethoxyphenyl)-diphenylmethyl] acetate is COc1cc(OC)cc(C(OC(C)=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [(3,5-dimethoxyphenyl)-diphenylmethyl] acetate?
The InChIKey is TVVIGJNQLYEDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-17(24)27-23(18-10-6-4-7-11-18,19-12-8-5-9-13-19)20-14-21(25-2)16-22(15-20)26-3/h4-16H,1-3H3.
What are the key properties of [(3,5-dimethoxyphenyl)-diphenylmethyl] acetate?
[(3,5-dimethoxyphenyl)-diphenylmethyl] acetate has a molecular weight of 362.43 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dimethoxyphenyl)-diphenylmethyl] acetate is sourced from PubChem (CID 46190086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).